General Information of the Compound
| Compound ID |
CP0543562
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| Compound Name |
3,4-bis(3,4-dimethoxyphenyl)-2,5-dioxo-N-(3-oxo-1H-2-benzofuran-5-yl)pyrrole-1-carboxamide
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| Structure |
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| Formula |
C29H24N2O9
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| Molecular Weight |
544.516
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| Canonical SMILES |
COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)Nc2ccc3COC(=O)c3c2)C1=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C29H24N2O9/c1-36-20-9-6-15(11-22(20)38-3)24-25(16-7-10-21(37-2)23(12-16)39-4)27(33)31(26(24)32)29(35)30-18-8-5-17-14-40-28(34)19(17)13-18/h5-13H,14H2,1-4H3,(H,30,35)
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| InChIKey |
KAGOMTMKPIZBLV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound